1-Hydroxy-4-(p-toluido)anthraquinone 1-Hydroxy-4-(p-toluido)anthraquinone

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:81-48-1

MDL number:MFCD00019148

EINECS number:201-353-5

RTECS number:CB7700000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: purple-black powder

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, Air=1): Uncertain

4. Melting point (ºC): 190-191

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain Determined

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical Temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

16. p>

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Dissolution Properties: Soluble in acetone, ethyl acetate, benzene and hot acetic acid, slightly soluble in ethanol, insoluble in water.

Toxicological data

1. Acute toxicity

Rat tracheal LDL0: 250mg/kg;

2. Teratogenicity

Salmonella: 25 ug/plate

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Ecological data

None yet

Molecular structure data

1. Molar refractive index: 94.74

2. Molar volume (cm³/mol): 239.8

3. Isotonic specific volume (90.2K ): 688.6

4. Surface tension (dyne/cm): 67.9

5. Polarizability (10^-24cm³): 37.56

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 5.5

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 12

6.�The polar surface area of ​​the molecule is 66.4

7. Number of heavy atoms: 25

8. Surface charge: 0

9. Complexity: 525

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be stored sealed in a dry and dark place.

Synthesis method

1. Phthalic anhydride is first condensed with p-chlorobenzene, and then condensed with p-toluidine for a second time, and then through; grinding; drying and commercialization chemical treatment to obtain products.

2.Mainly use the contraction method. It is obtained by performing a condensation reaction of aniline, hydrochloric acid and nitrobenzene, then adding hydrochloric acid and sodium hydroxide for acid-base leaching, and then beating and drying.

Purpose

1. Mainly used for dyeing pure polyester, and can also be used for dyeing acetate fiber. Can also be used for direct printing and transfer printing. Often combined with dispersed red 3B and dispersed yellow RL to form the three primary colors. Reactive dyes or direct dyes can be used to dye polyester/viscose blended fabrics in the same bath.

2.Mainly used for coloring polystyrene, ABS, rigid PVC resin, and also used for coloring polyester fiber pulp. Used in cosmetic coloring.